N-(diformamidomethyl)-3-(trifluoromethyl)benzamide

C11H10F3N3O3 — CID 11087484

IUPACN-(diformamidomethyl)-3-(trifluoromethyl)benzamide
SMILESO=CNC(NC=O)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-3-1-2-7(4-8)9(20)17-10(15-5-18)16-6-19/h1-6,10H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyFXWUARMQBXBUTH-UHFFFAOYSA-N
MW289.21 g/mol
LogP0.21
Rot. Bonds6

About N-(diformamidomethyl)-3-(trifluoromethyl)benzamide

N-(diformamidomethyl)-3-(trifluoromethyl)benzamide (PubChem CID 11087484) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is N-(diformamidomethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(diformamidomethyl)-3-(trifluoromethyl)benzamide
PubChem CID11087484
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC NameN-(diformamidomethyl)-3-(trifluoromethyl)benzamide
SMILESO=CNC(NC=O)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O3/c12-11(13,14)8-3-1-2-7(4-8)9(20)17-10(15-5-18)16-6-19/h1-6,10H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyFXWUARMQBXBUTH-UHFFFAOYSA-N
XLogP0.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-3-(trifluoromethyl)benzamide
CID 3549490
N-(1-amino-2,2,2-trichloroethyl)-3-(trifluoromethyl)benzamide
CID 134118431
(2R)-3,3-dimethyl-2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 103926700
N-but-3-yn-2-yl-3-(trifluoromethyl)benzamide
CID 114389842
N-(1-amino-2-methylprop-2-enyl)-3-(trifluoromethyl)benzamide
CID 177013336
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 28560234
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284

Frequently Asked Questions

What is the IUPAC name of N-(diformamidomethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(diformamidomethyl)-3-(trifluoromethyl)benzamide (CID 11087484) is N-(diformamidomethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(diformamidomethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(diformamidomethyl)-3-(trifluoromethyl)benzamide is O=CNC(NC=O)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(diformamidomethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FXWUARMQBXBUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c12-11(13,14)8-3-1-2-7(4-8)9(20)17-10(15-5-18)16-6-19/h1-6,10H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(diformamidomethyl)-3-(trifluoromethyl)benzamide?
N-(diformamidomethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 289.21 g/mol, XLogP of 0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diformamidomethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 11087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).